tert-butyl N-[1-oxidanylidene-3-(4-pyrimidin-2-ylphenyl)-1-pyrrolidin-1-yl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-oxidanylidene-3-(4-pyrimidin-2-ylphenyl)-1-pyrrolidin-1-yl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-oxo-1-[(4-pyrimidin-2-ylphenyl)methyl]-2-pyrrolidin-1-yl-ethyl]carbamate CAS Name: N-[1-oxo-3-[4-(2-pyrimidinyl)phenyl]-1-(1-pyrrolidinyl)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-oxo-3-(4-pyrimidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-2-yl]carbamate Traditional Name: N-[2-keto-1-[4-(2-pyrimidyl)benzyl]-2-pyrrolidino-ethyl]carbamic acid tert-butyl ester Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C2=NC=CC=N2)C(=O)N3CCCC3

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C2=NC=CC=N2)C(=O)N3CCCC3

InChI

InChI=1S/C22H28N4O3/c1-22(2,3)29-21(28)25-18(20(27)26-13-4-5-14-26)15-16-7-9-17(10-8-16)19-23-11-6-12-24-19/h6-12,18H,4-5,13-15H2,1-3H3,(H,25,28)